1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine

C16H28N2 — CID 113285453

IUPAC1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-13(2)16(17)10-11-18(4)14(3)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3
InChIKeySDPNNASGHMVYPO-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.92
Rot. Bonds7

About 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine (PubChem CID 113285453) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
PubChem CID113285453
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-13(2)16(17)10-11-18(4)14(3)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3
InChIKeySDPNNASGHMVYPO-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
CID 110174057
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
4-benzyl-2-methylhexan-3-amine
CID 79299139
1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317299

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine (CID 113285453) is 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine is CC(C)C(N)CCN(C)C(C)Cc1ccccc1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine?
The InChIKey is SDPNNASGHMVYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)16(17)10-11-18(4)14(3)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 113285453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).