N-propylundec-1-en-5-amine

C14H29N — CID 104987530

IUPACN-propylundec-1-en-5-amine
SMILESC=CCCC(CCCCCC)NCCC
InChIInChI=1S/C14H29N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h5,14-15H,2,4,6-13H2,1,3H3
InChIKeyDNZFYXYXCNNBAW-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.29
Rot. Bonds11

About N-propylundec-1-en-5-amine

N-propylundec-1-en-5-amine (PubChem CID 104987530) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-propylundec-1-en-5-amine.

Molecular Properties

Compound NameN-propylundec-1-en-5-amine
PubChem CID104987530
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-propylundec-1-en-5-amine
SMILESC=CCCC(CCCCCC)NCCC
InChIInChI=1S/C14H29N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h5,14-15H,2,4,6-13H2,1,3H3
InChIKeyDNZFYXYXCNNBAW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyltridec-1-en-5-amine
CID 104987742
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
3-(propylamino)dodecan-1-ol
CID 114078400
N-prop-2-enylundecan-6-amine
CID 43755395
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
N-methylpentadec-1-en-8-amine
CID 107011425
N-oct-2-ynylnona-1,8-dien-5-amine
CID 11402374
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145

Frequently Asked Questions

What is the IUPAC name of N-propylundec-1-en-5-amine?
The IUPAC name of N-propylundec-1-en-5-amine (CID 104987530) is N-propylundec-1-en-5-amine.
What is the SMILES notation for N-propylundec-1-en-5-amine?
The canonical SMILES for N-propylundec-1-en-5-amine is C=CCCC(CCCCCC)NCCC.
What is the InChIKey of N-propylundec-1-en-5-amine?
The InChIKey is DNZFYXYXCNNBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-9-10-12-14(11-8-5-2)15-13-6-3/h5,14-15H,2,4,6-13H2,1,3H3.
What are the key properties of N-propylundec-1-en-5-amine?
N-propylundec-1-en-5-amine has a molecular weight of 211.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylundec-1-en-5-amine is sourced from PubChem (CID 104987530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).