1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine

C21H42N4 — CID 87082374

IUPAC1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
SMILESCC(NC1CCCCC1)C(N)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C21H42N4/c1-17(23-18-11-5-2-6-12-18)21(22,24-19-13-7-3-8-14-19)25-20-15-9-4-10-16-20/h17-20,23-25H,2-16,22H2,1H3
InChIKeyJDLXRZLYWIGQNY-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.75
Rot. Bonds7

About 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine

1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine (PubChem CID 87082374) has the molecular formula C21H42N4 and a molecular weight of 350.60 g/mol. Its IUPAC name is 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
PubChem CID87082374
Molecular FormulaC21H42N4
Molecular Weight350.60 g/mol
Exact Mass350.34
IUPAC Name1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
SMILESCC(NC1CCCCC1)C(N)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C21H42N4/c1-17(23-18-11-5-2-6-12-18)21(22,24-19-13-7-3-8-14-19)25-20-15-9-4-10-16-20/h17-20,23-25H,2-16,22H2,1H3
InChIKeyJDLXRZLYWIGQNY-UHFFFAOYSA-N
XLogP3.75
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 15664413
trans-(1R,2R)-1-N,2-N-dicyclohexylcyclohexane-1,2-diamine
CID 59069810
N-[1-[4-[1-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine
CID 20203768
1-N,1-N'-dicyclohexylethane-1,1-diamine
CID 20594547
1-N,2-N-dicyclohexylcyclohexane-1,2-diamine
CID 21337653
2-N,2-N'-dicyclohexylpropane-2,2-diamine
CID 22381431
N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine
CID 57038886
1-N,1-N'-dicyclohexylpropane-1,1-diamine
CID 57078587
1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine
CID 57137512
N,N',N'-tricyclohexylmethanediamine
CID 57164561
N,N',N'-tricyclohexylethane-1,2-diamine
CID 57312050
N-methyl-3-[(1R,6R,11R,14S,19R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosan-14-yl]propan-1-amine
CID 57696689

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine?
The IUPAC name of 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine (CID 87082374) is 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine?
The canonical SMILES for 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine is CC(NC1CCCCC1)C(N)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine?
The InChIKey is JDLXRZLYWIGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4/c1-17(23-18-11-5-2-6-12-18)21(22,24-19-13-7-3-8-14-19)25-20-15-9-4-10-16-20/h17-20,23-25H,2-16,22H2,1H3.
What are the key properties of 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine?
1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine has a molecular weight of 350.60 g/mol, XLogP of 3.75, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine is sourced from PubChem (CID 87082374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).