2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine

C17H30N2 — CID 43107601

IUPAC2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
SMILESCC(CCc1ccccc1)NCC(C(C)C)N(C)C
InChIInChI=1S/C17H30N2/c1-14(2)17(19(4)5)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyYZHQDCZREZPPOH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.18
Rot. Bonds8

About 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine (PubChem CID 43107601) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
PubChem CID43107601
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
SMILESCC(CCc1ccccc1)NCC(C(C)C)N(C)C
InChIInChI=1S/C17H30N2/c1-14(2)17(19(4)5)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3
InChIKeyYZHQDCZREZPPOH-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
4-phenylbutan-2-ylhydrazine
CID 28622
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine (CID 43107601) is 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine is CC(CCc1ccccc1)NCC(C(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine?
The InChIKey is YZHQDCZREZPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)17(19(4)5)13-18-15(3)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 43107601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).