3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine

C10H19N3 — CID 130882676

IUPAC3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine
SMILESCC(C)(C)C(N)C(N)c1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-10(2,3)9(12)8(11)7-5-4-6-13-7/h4-6,8-9,13H,11-12H2,1-3H3
InChIKeyYGHPFSNYKYJTIG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.39
Rot. Bonds2

About 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine

3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine (PubChem CID 130882676) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine
PubChem CID130882676
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine
SMILESCC(C)(C)C(N)C(N)c1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-10(2,3)9(12)8(11)7-5-4-6-13-7/h4-6,8-9,13H,11-12H2,1-3H3
InChIKeyYGHPFSNYKYJTIG-UHFFFAOYSA-N
XLogP1.39
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
CID 171240212
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate
CID 171240215
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate;hydrochloride
CID 171240216
1-N,2-N,2-trimethyl-1-(1H-pyrrol-2-yl)propane-1,2-diamine
CID 116954049
3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
CID 63748383
2-(1-iodoethyl)-1H-pyrrole
CID 152827752
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine (CID 130882676) is 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine is CC(C)(C)C(N)C(N)c1ccc[nH]1.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine?
The InChIKey is YGHPFSNYKYJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,3)9(12)8(11)7-5-4-6-13-7/h4-6,8-9,13H,11-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine?
3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butane-1,2-diamine is sourced from PubChem (CID 130882676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).