2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine

C16H29N5 — CID 64801952

IUPAC2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H29N5/c17-7-11-19-8-3-9-20(13-12-19)14-15-6-10-21(18-15)16-4-1-2-5-16/h6,10,16H,1-5,7-9,11-14,17H2
InChIKeyIHWFACLYKCYBQW-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds5

About 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine

2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine (PubChem CID 64801952) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
PubChem CID64801952
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H29N5/c17-7-11-19-8-3-9-20(13-12-19)14-15-6-10-21(18-15)16-4-1-2-5-16/h6,10,16H,1-5,7-9,11-14,17H2
InChIKeyIHWFACLYKCYBQW-UHFFFAOYSA-N
XLogP1.46
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-4-carboximidamide
CID 64783767
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine (CID 64801952) is 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine is NCCN1CCCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
The InChIKey is IHWFACLYKCYBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c17-7-11-19-8-3-9-20(13-12-19)14-15-6-10-21(18-15)16-4-1-2-5-16/h6,10,16H,1-5,7-9,11-14,17H2.
What are the key properties of 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine?
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 64801952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).