N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine

C13H23N3 — CID 115686191

IUPACN'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C13H23N3/c1-11(2)16(13-3-4-13)8-7-15-10-12-5-6-14-9-12/h5-6,9,11,13-15H,3-4,7-8,10H2,1-2H3
InChIKeyYOWJYMJPKBZIMZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.98
Rot. Bonds7

About N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 115686191) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
PubChem CID115686191
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C13H23N3/c1-11(2)16(13-3-4-13)8-7-15-10-12-5-6-14-9-12/h5-6,9,11,13-15H,3-4,7-8,10H2,1-2H3
InChIKeyYOWJYMJPKBZIMZ-UHFFFAOYSA-N
XLogP1.98
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole, 3-methyl-
CID 12023
1H-Pyrrole-3-carboximidamide
CID 176662
1H-pyrrol-3-ylmethanamine
CID 23295846
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
1-(1H-pyrrol-3-yl)ethan-1-amine
CID 58629066
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
3-Vinylpyrrole
CID 9989218
Methyl-(3-pyrrol-1-yl-propyl)amine
CID 15044358
N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 556802
(4-Dimethylaminomethyl-1H-pyrrol-3-ylmethyl)dimethylamine
CID 585859
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine (CID 115686191) is N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine is CC(C)N(CCNCc1cc[nH]c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is YOWJYMJPKBZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)16(13-3-4-13)8-7-15-10-12-5-6-14-9-12/h5-6,9,11,13-15H,3-4,7-8,10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).