1-cyclopropylidene-N'-heptyl-N-propylmethanediamine

C14H28N2 — CID 137414423

IUPAC1-cyclopropylidene-N'-heptyl-N-propylmethanediamine
SMILESCCCCCCCNC(NCCC)=C1CC1
InChIInChI=1S/C14H28N2/c1-3-5-6-7-8-12-16-14(13-9-10-13)15-11-4-2/h15-16H,3-12H2,1-2H3
InChIKeyMTCCOAQLHDIQHQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.55
Rot. Bonds10

About 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine

1-cyclopropylidene-N'-heptyl-N-propylmethanediamine (PubChem CID 137414423) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine.

Molecular Properties

Compound Name1-cyclopropylidene-N'-heptyl-N-propylmethanediamine
PubChem CID137414423
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclopropylidene-N'-heptyl-N-propylmethanediamine
SMILESCCCCCCCNC(NCCC)=C1CC1
InChIInChI=1S/C14H28N2/c1-3-5-6-7-8-12-16-14(13-9-10-13)15-11-4-2/h15-16H,3-12H2,1-2H3
InChIKeyMTCCOAQLHDIQHQ-UHFFFAOYSA-N
XLogP3.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-propyl-1,2,3,4-tetrahydropyridin-6-amine
CID 142348248
(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
CID 155373345
azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
CID 173230015
azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
CID 173230055
3-Methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine
CID 174305498
2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
CID 173230016
2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
CID 173230056

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine?
The IUPAC name of 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine (CID 137414423) is 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine.
What is the SMILES notation for 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine?
The canonical SMILES for 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine is CCCCCCCNC(NCCC)=C1CC1.
What is the InChIKey of 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine?
The InChIKey is MTCCOAQLHDIQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-5-6-7-8-12-16-14(13-9-10-13)15-11-4-2/h15-16H,3-12H2,1-2H3.
What are the key properties of 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine?
1-cyclopropylidene-N'-heptyl-N-propylmethanediamine has a molecular weight of 224.39 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylidene-N'-heptyl-N-propylmethanediamine is sourced from PubChem (CID 137414423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).