N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine

C15H27N3 — CID 107441519

IUPACN'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(CN(C)C)c1
InChIInChI=1S/C15H27N3/c1-12(2)14(9-16)10-17-15-7-5-6-13(8-15)11-18(3)4/h5-8,12,14,17H,9-11,16H2,1-4H3
InChIKeyIGKQJRGDGPHPKO-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds7

About N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine

N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441519) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441519
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(CN(C)C)c1
InChIInChI=1S/C15H27N3/c1-12(2)14(9-16)10-17-15-7-5-6-13(8-15)11-18(3)4/h5-8,12,14,17H,9-11,16H2,1-4H3
InChIKeyIGKQJRGDGPHPKO-UHFFFAOYSA-N
XLogP2.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441924
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
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3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
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N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
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2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
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3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441519) is N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1cccc(CN(C)C)c1.
What is the InChIKey of N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is IGKQJRGDGPHPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)14(9-16)10-17-15-7-5-6-13(8-15)11-18(3)4/h5-8,12,14,17H,9-11,16H2,1-4H3.
What are the key properties of N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).