N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine

C14H26N2 — CID 66398852

IUPACN-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccn(CC)c1
InChIInChI=1S/C14H26N2/c1-4-6-7-8-13(3)15-11-14-9-10-16(5-2)12-14/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyAHXIXHBKYMSKJY-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.57
Rot. Bonds8

About N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine

N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine (PubChem CID 66398852) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
PubChem CID66398852
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccn(CC)c1
InChIInChI=1S/C14H26N2/c1-4-6-7-8-13(3)15-11-14-9-10-16(5-2)12-14/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyAHXIXHBKYMSKJY-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzylheptan-2-amine
CID 14923313
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
3-dodecyl-1-ethylpyrrole
CID 66960014
N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine (CID 66398852) is N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine is CCCCCC(C)NCc1ccn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine?
The InChIKey is AHXIXHBKYMSKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-7-8-13(3)15-11-14-9-10-16(5-2)12-14/h9-10,12-13,15H,4-8,11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine?
N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine is sourced from PubChem (CID 66398852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).