1-[4-(methylamino)phenyl]butane-1,4-diamine

C11H19N3 — CID 66819791

IUPAC1-[4-(methylamino)phenyl]butane-1,4-diamine
SMILESCNc1ccc(C(N)CCCN)cc1
InChIInChI=1S/C11H19N3/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7,11,14H,2-3,8,12-13H2,1H3
InChIKeyXPHGCUUNVPGIPP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(methylamino)phenyl]butane-1,4-diamine

1-[4-(methylamino)phenyl]butane-1,4-diamine (PubChem CID 66819791) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]butane-1,4-diamine.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]butane-1,4-diamine
PubChem CID66819791
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[4-(methylamino)phenyl]butane-1,4-diamine
SMILESCNc1ccc(C(N)CCCN)cc1
InChIInChI=1S/C11H19N3/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7,11,14H,2-3,8,12-13H2,1H3
InChIKeyXPHGCUUNVPGIPP-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S)-1,4-diaminobutyl]phenyl]acetamide
CID 171226174
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
4-[(1S)-1,4-diaminobutyl]benzonitrile;hydrochloride
CID 171217680
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
methyl 4-[(1R)-1,5-diaminopentyl]benzoate
CID 171212670
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]butane-1,4-diamine?
The IUPAC name of 1-[4-(methylamino)phenyl]butane-1,4-diamine (CID 66819791) is 1-[4-(methylamino)phenyl]butane-1,4-diamine.
What is the SMILES notation for 1-[4-(methylamino)phenyl]butane-1,4-diamine?
The canonical SMILES for 1-[4-(methylamino)phenyl]butane-1,4-diamine is CNc1ccc(C(N)CCCN)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]butane-1,4-diamine?
The InChIKey is XPHGCUUNVPGIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7,11,14H,2-3,8,12-13H2,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]butane-1,4-diamine?
1-[4-(methylamino)phenyl]butane-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]butane-1,4-diamine is sourced from PubChem (CID 66819791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).