N-(2H-pyrrol-5-ylmethyl)propan-2-amine

C8H14N2 — CID 164951045

IUPACN-(2H-pyrrol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=NCC=C1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-4-3-5-9-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyDUNKJFCHMHFKQY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.00
Rot. Bonds3

About N-(2H-pyrrol-5-ylmethyl)propan-2-amine

N-(2H-pyrrol-5-ylmethyl)propan-2-amine (PubChem CID 164951045) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(2H-pyrrol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2H-pyrrol-5-ylmethyl)propan-2-amine
PubChem CID164951045
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(2H-pyrrol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=NCC=C1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-4-3-5-9-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyDUNKJFCHMHFKQY-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
(4-Iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
CID 59831277
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
(4E)-N-(Butan-2-yl)-4-[(butan-2-yl)imino]pent-2-en-2-amine
CID 71427987
(Z)-4-methylimino-N-prop-2-enylpent-2-en-2-amine
CID 89792414
1,2,6,8a-Tetrahydro-1,5-naphthyridine
CID 91802482
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491776
2-ethyl-5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493380
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571

Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrrol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(2H-pyrrol-5-ylmethyl)propan-2-amine (CID 164951045) is N-(2H-pyrrol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2H-pyrrol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2H-pyrrol-5-ylmethyl)propan-2-amine is CC(C)NCC1=NCC=C1.
What is the InChIKey of N-(2H-pyrrol-5-ylmethyl)propan-2-amine?
The InChIKey is DUNKJFCHMHFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-6-8-4-3-5-9-8/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of N-(2H-pyrrol-5-ylmethyl)propan-2-amine?
N-(2H-pyrrol-5-ylmethyl)propan-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrrol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 164951045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).