1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine

C38H73N3 — CID 151791002

IUPAC1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
SMILESNC1(C2CCCCCCCCCCC2)CCCCCCCCCCCCC(N)(C2CCCC2)C1(N)C1CCCCC1
InChIInChI=1S/C38H73N3/c39-36(33-25-17-12-8-4-3-5-9-13-18-26-33)31-23-14-10-6-1-2-7-11-15-24-32-37(40,34-27-21-22-28-34)38(36,41)35-29-19-16-20-30-35/h33-35H,1-32,39-41H2
InChIKeyRWPPTGWIEZTDFF-UHFFFAOYSA-N
MW572.02 g/mol
LogP10.47
Rot. Bonds3

About 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine

1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine (PubChem CID 151791002) has the molecular formula C38H73N3 and a molecular weight of 572.02 g/mol. Its IUPAC name is 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine.

Molecular Properties

Compound Name1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
PubChem CID151791002
Molecular FormulaC38H73N3
Molecular Weight572.02 g/mol
Exact Mass571.58
IUPAC Name1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
SMILESNC1(C2CCCCCCCCCCC2)CCCCCCCCCCCCC(N)(C2CCCC2)C1(N)C1CCCCC1
InChIInChI=1S/C38H73N3/c39-36(33-25-17-12-8-4-3-5-9-13-18-26-33)31-23-14-10-6-1-2-7-11-15-24-32-37(40,34-27-21-22-28-34)38(36,41)35-29-19-16-20-30-35/h33-35H,1-32,39-41H2
InChIKeyRWPPTGWIEZTDFF-UHFFFAOYSA-N
XLogP10.47
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.02
LogP ≤ 510.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-methylcyclohexane-1,2-diamine
CID 129213673
1-cyclooctylcyclooctan-1-amine
CID 19973273
3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 165485494
spiro[5.6]dodecan-12-amine
CID 15021866
1,1-di(cyclooctyl)cyclooctane
CID 23107007
1-cyclopentyl-2,2-dimethylcyclopropan-1-amine
CID 83682013
(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
(1S,6R)-bicyclo[4.1.0]heptan-1-amine
CID 124660494
1,3,5,7-tetracyclopentyladamantane
CID 22929208
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
1-cycloheptyl-2-methylcyclohexan-1-amine
CID 82931177
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine?
The IUPAC name of 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine (CID 151791002) is 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine.
What is the SMILES notation for 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine?
The canonical SMILES for 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine is NC1(C2CCCCCCCCCCC2)CCCCCCCCCCCCC(N)(C2CCCC2)C1(N)C1CCCCC1.
What is the InChIKey of 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine?
The InChIKey is RWPPTGWIEZTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H73N3/c39-36(33-25-17-12-8-4-3-5-9-13-18-26-33)31-23-14-10-6-1-2-7-11-15-24-32-37(40,34-27-21-22-28-34)38(36,41)35-29-19-16-20-30-35/h33-35H,1-32,39-41H2.
What are the key properties of 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine?
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine has a molecular weight of 572.02 g/mol, XLogP of 10.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine is sourced from PubChem (CID 151791002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).