N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine

C13H29N3 — CID 169227867

IUPACN-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCNCCC(NCCCN)C1CCCCC1
InChIInChI=1S/C13H29N3/c1-15-11-8-13(16-10-5-9-14)12-6-3-2-4-7-12/h12-13,15-16H,2-11,14H2,1H3
InChIKeyLTVYKQOOOPABRQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.48
Rot. Bonds8

About N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine

N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 169227867) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID169227867
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCNCCC(NCCCN)C1CCCCC1
InChIInChI=1S/C13H29N3/c1-15-11-8-13(16-10-5-9-14)12-6-3-2-4-7-12/h12-13,15-16H,2-11,14H2,1H3
InChIKeyLTVYKQOOOPABRQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
CID 67380436
N-butyl-1-cyclopentylbutan-1-amine
CID 173232536
N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine
CID 21396646
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
CID 116643527
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine (CID 169227867) is N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine is CNCCC(NCCCN)C1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is LTVYKQOOOPABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-15-11-8-13(16-10-5-9-14)12-6-3-2-4-7-12/h12-13,15-16H,2-11,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine?
N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 169227867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).