(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol

C14H28N2O — CID 89154035

IUPAC(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol
SMILESC=CC(N)C/C=C\CC(O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O/c1-6-13(15)9-7-8-10-14(17)16(11(2)3)12(4)5/h6-8,11-14,17H,1,9-10,15H2,2-5H3/b8-7-
InChIKeyKAUASLCZSOKFIJ-FPLPWBNLSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds8

About (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol

(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol (PubChem CID 89154035) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol.

Molecular Properties

Compound Name(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol
PubChem CID89154035
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol
SMILESC=CC(N)C/C=C\CC(O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O/c1-6-13(15)9-7-8-10-14(17)16(11(2)3)12(4)5/h6-8,11-14,17H,1,9-10,15H2,2-5H3/b8-7-
InChIKeyKAUASLCZSOKFIJ-FPLPWBNLSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 89153873
CID 89153873
CID 89256469
CID 89256469
CID 90058740
CID 90058740
CID 90058766
CID 90058766
CID 90058773
CID 90058773
CID 117814808
CID 117814808
CID 123550077
CID 123550077
CID 143703504
CID 143703504
CID 144566476
CID 144566476

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol?
The IUPAC name of (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol (CID 89154035) is (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol.
What is the SMILES notation for (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol?
The canonical SMILES for (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol is C=CC(N)C/C=C\CC(O)N(C(C)C)C(C)C.
What is the InChIKey of (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol?
The InChIKey is KAUASLCZSOKFIJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-13(15)9-7-8-10-14(17)16(11(2)3)12(4)5/h6-8,11-14,17H,1,9-10,15H2,2-5H3/b8-7-.
What are the key properties of (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol?
(3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol has a molecular weight of 240.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-amino-1-[di(propan-2-yl)amino]octa-3,7-dien-1-ol is sourced from PubChem (CID 89154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).