1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine

C16H24N4 — CID 70874382

IUPAC1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1c[nH]c(CNC2CCCCC2NCc2ccc[nH]2)c1
InChIInChI=1S/C16H24N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-10,15-20H,1-2,7-8,11-12H2
InChIKeyFQSFMKJEJOLUHW-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.53
Rot. Bonds6

About 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine

1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 70874382) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID70874382
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1c[nH]c(CNC2CCCCC2NCc2ccc[nH]2)c1
InChIInChI=1S/C16H24N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-10,15-20H,1-2,7-8,11-12H2
InChIKeyFQSFMKJEJOLUHW-UHFFFAOYSA-N
XLogP2.53
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

CID 260796
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CID 137075
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CID 413448
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CID 11805737
CID 11805737
CID 2771659
CID 2771659
CID 140814
CID 140814
CID 10464479
CID 10464479
CID 16110292
CID 16110292
CID 16110293
CID 16110293
CID 16110294
CID 16110294
CID 16110295
CID 16110295
CID 16110297
CID 16110297

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine (CID 70874382) is 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine is c1c[nH]c(CNC2CCCCC2NCc2ccc[nH]2)c1.
What is the InChIKey of 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is FQSFMKJEJOLUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-10,15-20H,1-2,7-8,11-12H2.
What are the key properties of 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine?
1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 70874382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).