3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine

C18H35N3 — CID 176984948

IUPAC3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine
SMILESC=NN(/C=C(\C)CN1CCC(C(C)C)CC1)CCC(C)C
InChIInChI=1S/C18H35N3/c1-15(2)7-12-21(19-6)14-17(5)13-20-10-8-18(9-11-20)16(3)4/h14-16,18H,6-13H2,1-5H3/b17-14+
InChIKeyRUGXYJLFWCKUNX-SAPNQHFASA-N
MW293.50 g/mol
LogP4.22
Rot. Bonds8

About 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine

3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine (PubChem CID 176984948) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine
PubChem CID176984948
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine
SMILESC=NN(/C=C(\C)CN1CCC(C(C)C)CC1)CCC(C)C
InChIInChI=1S/C18H35N3/c1-15(2)7-12-21(19-6)14-17(5)13-20-10-8-18(9-11-20)16(3)4/h14-16,18H,6-13H2,1-5H3/b17-14+
InChIKeyRUGXYJLFWCKUNX-SAPNQHFASA-N
XLogP4.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enyl)-4-(2-methylpropyl)piperidine
CID 155706752
ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine
CID 176983702
2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
CID 178000127
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
CID 178000182
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
2-[4-(1-aminoethyl)piperidin-1-yl]-N,N-dipropylacetamide
CID 55217068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine?
The IUPAC name of 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine (CID 176984948) is 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine is C=NN(/C=C(\C)CN1CCC(C(C)C)CC1)CCC(C)C.
What is the InChIKey of 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine?
The InChIKey is RUGXYJLFWCKUNX-SAPNQHFASA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)7-12-21(19-6)14-17(5)13-20-10-8-18(9-11-20)16(3)4/h14-16,18H,6-13H2,1-5H3/b17-14+.
What are the key properties of 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine?
3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylideneamino)-N-[(E)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)prop-1-enyl]butan-1-amine is sourced from PubChem (CID 176984948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).