N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C16H32N2 — CID 103776965

IUPACN-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)18(3)11-5-10-17-16-7-4-6-15(12-16)14-8-9-14/h13-17H,4-12H2,1-3H3
InChIKeyNQYZOFQTPZRAEU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds7

About N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103776965) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103776965
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)18(3)11-5-10-17-16-7-4-6-15(12-16)14-8-9-14/h13-17H,4-12H2,1-3H3
InChIKeyNQYZOFQTPZRAEU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
N-(3-cyclopropylcyclohexyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 64623379
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
1-[(3-cyclopropylcyclohexyl)amino]propan-2-ol
CID 64593899
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
CID 114099437
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 103776965) is N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is NQYZOFQTPZRAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)18(3)11-5-10-17-16-7-4-6-15(12-16)14-8-9-14/h13-17H,4-12H2,1-3H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103776965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).