(5S)-6-phenylhex-1-ene-2,5-diamine

C12H18N2 — CID 146226437

IUPAC(5S)-6-phenylhex-1-ene-2,5-diamine
SMILESC=C(N)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9,13-14H2/t12-/m0/s1
InChIKeyIGNILIDGUMFTMQ-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.81
Rot. Bonds5

About (5S)-6-phenylhex-1-ene-2,5-diamine

(5S)-6-phenylhex-1-ene-2,5-diamine (PubChem CID 146226437) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5S)-6-phenylhex-1-ene-2,5-diamine.

Molecular Properties

Compound Name(5S)-6-phenylhex-1-ene-2,5-diamine
PubChem CID146226437
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5S)-6-phenylhex-1-ene-2,5-diamine
SMILESC=C(N)CC[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9,13-14H2/t12-/m0/s1
InChIKeyIGNILIDGUMFTMQ-LBPRGKRZSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
5-amino-6-phenylhexan-2-one
CID 90094782
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
1,4-diphenylbutan-2-amine
CID 60820174
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
ethene;3-phenylpropane-1,2-diamine
CID 175295695
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
CID 21074196
5-phenoxy-1-phenylpentan-2-amine
CID 62935761

Frequently Asked Questions

What is the IUPAC name of (5S)-6-phenylhex-1-ene-2,5-diamine?
The IUPAC name of (5S)-6-phenylhex-1-ene-2,5-diamine (CID 146226437) is (5S)-6-phenylhex-1-ene-2,5-diamine.
What is the SMILES notation for (5S)-6-phenylhex-1-ene-2,5-diamine?
The canonical SMILES for (5S)-6-phenylhex-1-ene-2,5-diamine is C=C(N)CC[C@H](N)Cc1ccccc1.
What is the InChIKey of (5S)-6-phenylhex-1-ene-2,5-diamine?
The InChIKey is IGNILIDGUMFTMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9,13-14H2/t12-/m0/s1.
What are the key properties of (5S)-6-phenylhex-1-ene-2,5-diamine?
(5S)-6-phenylhex-1-ene-2,5-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-phenylhex-1-ene-2,5-diamine is sourced from PubChem (CID 146226437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).