1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine

C10H20N2 — CID 89294364

IUPAC1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(NC)CC1
InChIInChI=1S/C10H20N2/c1-8(2)12-10-6-4-9(11-3)5-7-10/h9-12H,1,4-7H2,2-3H3
InChIKeyKZWOPTFTVDEMMI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.64
Rot. Bonds3

About 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine

1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine (PubChem CID 89294364) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
PubChem CID89294364
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(NC)CC1
InChIInChI=1S/C10H20N2/c1-8(2)12-10-6-4-9(11-3)5-7-10/h9-12H,1,4-7H2,2-3H3
InChIKeyKZWOPTFTVDEMMI-UHFFFAOYSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143509764
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CID 135292572
methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
CID 143541445
N-methyl-4-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 90730487
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
methyl N-[4-(methylamino)cyclohexyl]carbamate
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1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
N-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)piperidin-4-amine
CID 178001600
1,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
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1-cyclopentyl-3-prop-1-en-2-ylurea
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N-[4-(methylamino)cyclohexyl]pent-4-enamide
CID 79110901

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine (CID 89294364) is 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine is C=C(C)NC1CCC(NC)CC1.
What is the InChIKey of 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
The InChIKey is KZWOPTFTVDEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-10-6-4-9(11-3)5-7-10/h9-12H,1,4-7H2,2-3H3.
What are the key properties of 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine?
1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 89294364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).