N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine

C17H30N2 — CID 63945877

IUPACN-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCCCC(CC)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-16(6-2)18-17(14-19(3)4)15-11-9-8-10-12-15/h8-12,16-18H,5-7,13-14H2,1-4H3
InChIKeyTZQWFAHPASSYRI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds9

About N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 63945877) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID63945877
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCCCC(CC)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-16(6-2)18-17(14-19(3)4)15-11-9-8-10-12-15/h8-12,16-18H,5-7,13-14H2,1-4H3
InChIKeyTZQWFAHPASSYRI-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
CID 113494589
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
N-(1-phenylethyl)hexan-2-amine
CID 43755937

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 63945877) is N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine is CCCCC(CC)NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is TZQWFAHPASSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-13-16(6-2)18-17(14-19(3)4)15-11-9-8-10-12-15/h8-12,16-18H,5-7,13-14H2,1-4H3.
What are the key properties of N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63945877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).