N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine

C17H24N2 — CID 116960307

IUPACN-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1cccc2ccccc12)C(CN)C(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16(11-18)17(19-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17,19H,11,18H2,1-3H3
InChIKeyPHTXTBBXUXBZJF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine

N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960307) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960307
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1cccc2ccccc12)C(CN)C(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16(11-18)17(19-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17,19H,11,18H2,1-3H3
InChIKeyPHTXTBBXUXBZJF-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine (CID 116960307) is N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine is CNC(c1cccc2ccccc12)C(CN)C(C)C.
What is the InChIKey of N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PHTXTBBXUXBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)16(11-18)17(19-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17,19H,11,18H2,1-3H3.
What are the key properties of N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine?
N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).