2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine

C17H28N2O — CID 62881613

IUPAC2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(14-17-9-5-6-12-20-17)16(13-18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3
InChIKeyNDPLZFDWHFUDRF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds7

About 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine

2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine (PubChem CID 62881613) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
PubChem CID62881613
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(14-17-9-5-6-12-20-17)16(13-18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3
InChIKeyNDPLZFDWHFUDRF-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79971747
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 116504029
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
1-(1-benzothiophen-3-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62698125
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
N-methyl-1-(6-methyl-3-pyridinyl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 104822193

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine (CID 62881613) is 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine is CN(CC1CCCCO1)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine?
The InChIKey is NDPLZFDWHFUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(14-17-9-5-6-12-20-17)16(13-18)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3.
What are the key properties of 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine?
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 62881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).