(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine

C12H20N2 — CID 131967854

IUPAC(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine
SMILESC=C(N)CC[C@H](N)CC1=CCCC=C1
InChIInChI=1S/C12H20N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h3,5-6,12H,1-2,4,7-9,13-14H2/t12-/m0/s1
InChIKeyBPNRDVAOONSHHT-LBPRGKRZSA-N
MW192.31 g/mol
LogP2.23
Rot. Bonds5

About (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine

(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine (PubChem CID 131967854) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine.

Molecular Properties

Compound Name(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine
PubChem CID131967854
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine
SMILESC=C(N)CC[C@H](N)CC1=CCCC=C1
InChIInChI=1S/C12H20N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h3,5-6,12H,1-2,4,7-9,13-14H2/t12-/m0/s1
InChIKeyBPNRDVAOONSHHT-LBPRGKRZSA-N
XLogP2.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine?
The IUPAC name of (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine (CID 131967854) is (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine.
What is the SMILES notation for (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine?
The canonical SMILES for (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine is C=C(N)CC[C@H](N)CC1=CCCC=C1.
What is the InChIKey of (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine?
The InChIKey is BPNRDVAOONSHHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(13)7-8-12(14)9-11-5-3-2-4-6-11/h3,5-6,12H,1-2,4,7-9,13-14H2/t12-/m0/s1.
What are the key properties of (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine?
(5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-cyclohexa-1,5-dien-1-ylhex-1-ene-2,5-diamine is sourced from PubChem (CID 131967854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).