decan-1-amine;N,N-dimethylhex-4-en-1-amine

C18H40N2 — CID 159532821

IUPACdecan-1-amine;N,N-dimethylhex-4-en-1-amine
SMILESCC=CCCCN(C)C.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C8H17N/c1-2-3-4-5-6-7-8-9-10-11;1-4-5-6-7-8-9(2)3/h2-11H2,1H3;4-5H,6-8H2,1-3H3
InChIKeyMDFFWAFPJYTPOQ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.99
Rot. Bonds12

About decan-1-amine;N,N-dimethylhex-4-en-1-amine

decan-1-amine;N,N-dimethylhex-4-en-1-amine (PubChem CID 159532821) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is decan-1-amine;N,N-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Namedecan-1-amine;N,N-dimethylhex-4-en-1-amine
PubChem CID159532821
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Namedecan-1-amine;N,N-dimethylhex-4-en-1-amine
SMILESCC=CCCCN(C)C.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C8H17N/c1-2-3-4-5-6-7-8-9-10-11;1-4-5-6-7-8-9(2)3/h2-11H2,1H3;4-5H,6-8H2,1-3H3
InChIKeyMDFFWAFPJYTPOQ-UHFFFAOYSA-N
XLogP4.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine
CID 174780488
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;N,N-dimethylhex-4-en-1-amine?
The IUPAC name of decan-1-amine;N,N-dimethylhex-4-en-1-amine (CID 159532821) is decan-1-amine;N,N-dimethylhex-4-en-1-amine.
What is the SMILES notation for decan-1-amine;N,N-dimethylhex-4-en-1-amine?
The canonical SMILES for decan-1-amine;N,N-dimethylhex-4-en-1-amine is CC=CCCCN(C)C.CCCCCCCCCCN.
What is the InChIKey of decan-1-amine;N,N-dimethylhex-4-en-1-amine?
The InChIKey is MDFFWAFPJYTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C8H17N/c1-2-3-4-5-6-7-8-9-10-11;1-4-5-6-7-8-9(2)3/h2-11H2,1H3;4-5H,6-8H2,1-3H3.
What are the key properties of decan-1-amine;N,N-dimethylhex-4-en-1-amine?
decan-1-amine;N,N-dimethylhex-4-en-1-amine has a molecular weight of 284.53 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;N,N-dimethylhex-4-en-1-amine is sourced from PubChem (CID 159532821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).