N'-(6-phenylhexan-3-yl)ethane-1,2-diamine

C14H24N2 — CID 71061994

IUPACN'-(6-phenylhexan-3-yl)ethane-1,2-diamine
SMILESCCC(CCCc1ccccc1)NCCN
InChIInChI=1S/C14H24N2/c1-2-14(16-12-11-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12,15H2,1H3
InChIKeyWNKXYOKOCKZWED-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.34
Rot. Bonds8

About N'-(6-phenylhexan-3-yl)ethane-1,2-diamine

N'-(6-phenylhexan-3-yl)ethane-1,2-diamine (PubChem CID 71061994) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-(6-phenylhexan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-phenylhexan-3-yl)ethane-1,2-diamine
PubChem CID71061994
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-(6-phenylhexan-3-yl)ethane-1,2-diamine
SMILESCCC(CCCc1ccccc1)NCCN
InChIInChI=1S/C14H24N2/c1-2-14(16-12-11-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12,15H2,1H3
InChIKeyWNKXYOKOCKZWED-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
N-(2-phenylethyl)octan-4-amine
CID 11128217
2-(2-phenylethylamino)butan-1-ol
CID 17157372
3-phenylpropan-1-amine;propane
CID 70273467
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
7-phenylheptane-1,4-diamine
CID 174860311
6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
CID 135143739
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432

Frequently Asked Questions

What is the IUPAC name of N'-(6-phenylhexan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-phenylhexan-3-yl)ethane-1,2-diamine (CID 71061994) is N'-(6-phenylhexan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-phenylhexan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-phenylhexan-3-yl)ethane-1,2-diamine is CCC(CCCc1ccccc1)NCCN.
What is the InChIKey of N'-(6-phenylhexan-3-yl)ethane-1,2-diamine?
The InChIKey is WNKXYOKOCKZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-14(16-12-11-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12,15H2,1H3.
What are the key properties of N'-(6-phenylhexan-3-yl)ethane-1,2-diamine?
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-phenylhexan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 71061994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).