4-methyl-N-propyldec-9-yn-5-amine

C14H27N — CID 105034144

IUPAC4-methyl-N-propyldec-9-yn-5-amine
SMILESC#CCCCC(NCCC)C(C)CCC
InChIInChI=1S/C14H27N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h1,13-15H,6-12H2,2-4H3
InChIKeySVHOCABVQHFNBB-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds9

About 4-methyl-N-propyldec-9-yn-5-amine

4-methyl-N-propyldec-9-yn-5-amine (PubChem CID 105034144) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-methyl-N-propyldec-9-yn-5-amine.

Molecular Properties

Compound Name4-methyl-N-propyldec-9-yn-5-amine
PubChem CID105034144
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-methyl-N-propyldec-9-yn-5-amine
SMILESC#CCCCC(NCCC)C(C)CCC
InChIInChI=1S/C14H27N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h1,13-15H,6-12H2,2-4H3
InChIKeySVHOCABVQHFNBB-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propyldecan-5-amine
CID 115837654
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
N-pent-4-ynylpentan-2-amine
CID 115724855
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
6-methyl-N-propylnon-2-yn-5-amine
CID 115819999
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
3-methyl-N-propylhexadecan-4-amine
CID 63717053
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
CID 105179486
1-(2-adamantyl)-N-propylhex-5-yn-1-amine
CID 105033843
1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
CID 105179592
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhex-5-yn-1-amine
CID 105033689
1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
CID 105034027

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyldec-9-yn-5-amine?
The IUPAC name of 4-methyl-N-propyldec-9-yn-5-amine (CID 105034144) is 4-methyl-N-propyldec-9-yn-5-amine.
What is the SMILES notation for 4-methyl-N-propyldec-9-yn-5-amine?
The canonical SMILES for 4-methyl-N-propyldec-9-yn-5-amine is C#CCCCC(NCCC)C(C)CCC.
What is the InChIKey of 4-methyl-N-propyldec-9-yn-5-amine?
The InChIKey is SVHOCABVQHFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-8-9-11-14(15-12-7-3)13(4)10-6-2/h1,13-15H,6-12H2,2-4H3.
What are the key properties of 4-methyl-N-propyldec-9-yn-5-amine?
4-methyl-N-propyldec-9-yn-5-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyldec-9-yn-5-amine is sourced from PubChem (CID 105034144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).