7-phenylheptane-1,4-diamine

C13H22N2 — CID 174860311

IUPAC7-phenylheptane-1,4-diamine
SMILESNCCCC(N)CCCc1ccccc1
InChIInChI=1S/C13H22N2/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14-15H2
InChIKeyWKAQIDAVGSKUQK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.08
Rot. Bonds7

About 7-phenylheptane-1,4-diamine

7-phenylheptane-1,4-diamine (PubChem CID 174860311) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7-phenylheptane-1,4-diamine.

Molecular Properties

Compound Name7-phenylheptane-1,4-diamine
PubChem CID174860311
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7-phenylheptane-1,4-diamine
SMILESNCCCC(N)CCCc1ccccc1
InChIInChI=1S/C13H22N2/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14-15H2
InChIKeyWKAQIDAVGSKUQK-UHFFFAOYSA-N
XLogP2.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenylhexane-1,4-diamine
CID 23163544
1-phenyloctan-4-amine
CID 79413314
13-phenyltridecan-1-amine
CID 19801439
benzene;3-phenylpropan-1-amine
CID 174865683
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
5-phenylpentane-1,3-diamine
CID 68702978
(6S)-6,9-diamino-1-phenylnonan-4-one
CID 157262351
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
1-[2-(2-aminoethoxy)ethoxy]-5-phenylpentan-2-amine
CID 153322921
4-phenylbutan-1-amine;hydrochloride
CID 44630065

Frequently Asked Questions

What is the IUPAC name of 7-phenylheptane-1,4-diamine?
The IUPAC name of 7-phenylheptane-1,4-diamine (CID 174860311) is 7-phenylheptane-1,4-diamine.
What is the SMILES notation for 7-phenylheptane-1,4-diamine?
The canonical SMILES for 7-phenylheptane-1,4-diamine is NCCCC(N)CCCc1ccccc1.
What is the InChIKey of 7-phenylheptane-1,4-diamine?
The InChIKey is WKAQIDAVGSKUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-11-5-10-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14-15H2.
What are the key properties of 7-phenylheptane-1,4-diamine?
7-phenylheptane-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylheptane-1,4-diamine is sourced from PubChem (CID 174860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).