N-propan-2-ylhepta-2,4-diyn-1-amine

C10H15N — CID 170374005

IUPACN-propan-2-ylhepta-2,4-diyn-1-amine
SMILESCCC#CC#CCNC(C)C
InChIInChI=1S/C10H15N/c1-4-5-6-7-8-9-11-10(2)3/h10-11H,4,9H2,1-3H3
InChIKeyXQQGCPXSBQAFJE-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.40
Rot. Bonds2

About N-propan-2-ylhepta-2,4-diyn-1-amine

N-propan-2-ylhepta-2,4-diyn-1-amine (PubChem CID 170374005) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-propan-2-ylhepta-2,4-diyn-1-amine.

Molecular Properties

Compound NameN-propan-2-ylhepta-2,4-diyn-1-amine
PubChem CID170374005
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-propan-2-ylhepta-2,4-diyn-1-amine
SMILESCCC#CC#CCNC(C)C
InChIInChI=1S/C10H15N/c1-4-5-6-7-8-9-11-10(2)3/h10-11H,4,9H2,1-3H3
InChIKeyXQQGCPXSBQAFJE-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylhepta-2,4-diyn-1-amine?
The IUPAC name of N-propan-2-ylhepta-2,4-diyn-1-amine (CID 170374005) is N-propan-2-ylhepta-2,4-diyn-1-amine.
What is the SMILES notation for N-propan-2-ylhepta-2,4-diyn-1-amine?
The canonical SMILES for N-propan-2-ylhepta-2,4-diyn-1-amine is CCC#CC#CCNC(C)C.
What is the InChIKey of N-propan-2-ylhepta-2,4-diyn-1-amine?
The InChIKey is XQQGCPXSBQAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-7-8-9-11-10(2)3/h10-11H,4,9H2,1-3H3.
What are the key properties of N-propan-2-ylhepta-2,4-diyn-1-amine?
N-propan-2-ylhepta-2,4-diyn-1-amine has a molecular weight of 149.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylhepta-2,4-diyn-1-amine is sourced from PubChem (CID 170374005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).