4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine

C12H21N3 — CID 115149878

IUPAC4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCCc2cc[nH]c2)CC1
InChIInChI=1S/C12H21N3/c13-11-1-3-12(4-2-11)15-8-6-10-5-7-14-9-10/h5,7,9,11-12,14-15H,1-4,6,8,13H2
InChIKeyNMWRYCAOPKSXPI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.42
Rot. Bonds4

About 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine

4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 115149878) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID115149878
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCCc2cc[nH]c2)CC1
InChIInChI=1S/C12H21N3/c13-11-1-3-12(4-2-11)15-8-6-10-5-7-14-9-10/h5,7,9,11-12,14-15H,1-4,6,8,13H2
InChIKeyNMWRYCAOPKSXPI-UHFFFAOYSA-N
XLogP1.42
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-pyrrol-3-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149129
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[2-(1H-pyrrol-3-yl)ethyl]formamide
CID 57296445
4-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149890
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine (CID 115149878) is 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine is NC1CCC(NCCc2cc[nH]c2)CC1.
What is the InChIKey of 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is NMWRYCAOPKSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-11-1-3-12(4-2-11)15-8-6-10-5-7-14-9-10/h5,7,9,11-12,14-15H,1-4,6,8,13H2.
What are the key properties of 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine?
4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).