2-(3-methylphenyl)heptane-1,3-diamine

C14H24N2 — CID 20848406

IUPAC2-(3-methylphenyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-3-4-8-14(16)13(10-15)12-7-5-6-11(2)9-12/h5-7,9,13-14H,3-4,8,10,15-16H2,1-2H3
InChIKeyCIJRELASDYHBTQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.55
Rot. Bonds6

About 2-(3-methylphenyl)heptane-1,3-diamine

2-(3-methylphenyl)heptane-1,3-diamine (PubChem CID 20848406) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)heptane-1,3-diamine.

Molecular Properties

Compound Name2-(3-methylphenyl)heptane-1,3-diamine
PubChem CID20848406
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(3-methylphenyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-3-4-8-14(16)13(10-15)12-7-5-6-11(2)9-12/h5-7,9,13-14H,3-4,8,10,15-16H2,1-2H3
InChIKeyCIJRELASDYHBTQ-UHFFFAOYSA-N
XLogP2.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
2-(4-ethoxyphenyl)heptane-1,3-diamine
CID 20848171
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
2-amino-3-(3-methylphenyl)hexanoic acid
CID 69403442
1-(3-methylphenyl)decan-1-ol
CID 63411280
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
1-(1-chloroundecan-2-yl)-3-methylbenzene
CID 79416854
1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79412449
2-hexoxy-2-(3-methylphenyl)ethanamine
CID 55020472

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)heptane-1,3-diamine?
The IUPAC name of 2-(3-methylphenyl)heptane-1,3-diamine (CID 20848406) is 2-(3-methylphenyl)heptane-1,3-diamine.
What is the SMILES notation for 2-(3-methylphenyl)heptane-1,3-diamine?
The canonical SMILES for 2-(3-methylphenyl)heptane-1,3-diamine is CCCCC(N)C(CN)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)heptane-1,3-diamine?
The InChIKey is CIJRELASDYHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-8-14(16)13(10-15)12-7-5-6-11(2)9-12/h5-7,9,13-14H,3-4,8,10,15-16H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)heptane-1,3-diamine?
2-(3-methylphenyl)heptane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)heptane-1,3-diamine is sourced from PubChem (CID 20848406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).