N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine

C13H25N3 — CID 115205056

IUPACN',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
SMILESCN(CCc1ccc[nH]1)CCC(C)(C)CN
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-10-16(3)9-6-12-5-4-8-15-12/h4-5,8,15H,6-7,9-11,14H2,1-3H3
InChIKeyCGQGMHIESBSPLI-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.86
Rot. Bonds7

About N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine

N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine (PubChem CID 115205056) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
PubChem CID115205056
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
SMILESCN(CCc1ccc[nH]1)CCC(C)(C)CN
InChIInChI=1S/C13H25N3/c1-13(2,11-14)7-10-16(3)9-6-12-5-4-8-15-12/h4-5,8,15H,6-7,9-11,14H2,1-3H3
InChIKeyCGQGMHIESBSPLI-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(1H-pyrrol-2-yl)ethanamine
CID 115244397
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine (CID 115205056) is N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine is CN(CCc1ccc[nH]1)CCC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine?
The InChIKey is CGQGMHIESBSPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,11-14)7-10-16(3)9-6-12-5-4-8-15-12/h4-5,8,15H,6-7,9-11,14H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine?
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine has a molecular weight of 223.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115205056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).