N-deuteriotetradec-1-en-1-amine

C14H29N — CID 175715778

IUPACN-deuteriotetradec-1-en-1-amine
SMILES[2H]NC=CCCCCCCCCCCCC
InChIInChI=1S/C14H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h13-14H,2-12,15H2,1H3/i/hD
InChIKeyRZYFONVAFJSMQJ-DYCDLGHISA-N
MW212.40 g/mol
LogP4.77
Rot. Bonds12

About N-deuteriotetradec-1-en-1-amine

N-deuteriotetradec-1-en-1-amine (PubChem CID 175715778) has the molecular formula C14H29N and a molecular weight of 212.40 g/mol. Its IUPAC name is N-deuteriotetradec-1-en-1-amine.

Molecular Properties

Compound NameN-deuteriotetradec-1-en-1-amine
PubChem CID175715778
Molecular FormulaC14H29N
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC NameN-deuteriotetradec-1-en-1-amine
SMILES[2H]NC=CCCCCCCCCCCCC
InChIInChI=1S/C14H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h13-14H,2-12,15H2,1H3/i/hD
InChIKeyRZYFONVAFJSMQJ-DYCDLGHISA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-dec-1-en-1-amine
CID 21420709
hept-1-en-1-amine
CID 73447107
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of N-deuteriotetradec-1-en-1-amine?
The IUPAC name of N-deuteriotetradec-1-en-1-amine (CID 175715778) is N-deuteriotetradec-1-en-1-amine.
What is the SMILES notation for N-deuteriotetradec-1-en-1-amine?
The canonical SMILES for N-deuteriotetradec-1-en-1-amine is [2H]NC=CCCCCCCCCCCCC.
What is the InChIKey of N-deuteriotetradec-1-en-1-amine?
The InChIKey is RZYFONVAFJSMQJ-DYCDLGHISA-N. The full InChI is InChI=1S/C14H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h13-14H,2-12,15H2,1H3/i/hD.
What are the key properties of N-deuteriotetradec-1-en-1-amine?
N-deuteriotetradec-1-en-1-amine has a molecular weight of 212.40 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuteriotetradec-1-en-1-amine is sourced from PubChem (CID 175715778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).