1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol

C16H28N2O — CID 111436579

IUPAC1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)CCn1cccc1CNCC1(O)CCCC1
InChIInChI=1S/C16H28N2O/c1-14(2)7-11-18-10-5-6-15(18)12-17-13-16(19)8-3-4-9-16/h5-6,10,14,17,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyBKDMKYHHASTJCZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.93
Rot. Bonds7

About 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol

1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 111436579) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
PubChem CID111436579
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)CCn1cccc1CNCC1(O)CCCC1
InChIInChI=1S/C16H28N2O/c1-14(2)7-11-18-10-5-6-15(18)12-17-13-16(19)8-3-4-9-16/h5-6,10,14,17,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyBKDMKYHHASTJCZ-UHFFFAOYSA-N
XLogP2.93
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
CID 111469432
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
N-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97014505
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116465
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 66416766
[1-(4-methylpentyl)pyrrol-2-yl]methanamine
CID 83158614
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol (CID 111436579) is 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol is CC(C)CCn1cccc1CNCC1(O)CCCC1.
What is the InChIKey of 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BKDMKYHHASTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)7-11-18-10-5-6-15(18)12-17-13-16(19)8-3-4-9-16/h5-6,10,14,17,19H,3-4,7-9,11-13H2,1-2H3.
What are the key properties of 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol?
1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).