N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine

C9H18N2 — CID 586874

IUPACN-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine
SMILESC=C(C=NNC(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(5)6-10-11-8(3)4/h6-8,11H,5H2,1-4H3
InChIKeyOATICRMJGGIIEI-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds4

About N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine

N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine (PubChem CID 586874) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine
PubChem CID586874
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine
SMILESC=C(C=NNC(C)C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(5)6-10-11-8(3)4/h6-8,11H,5H2,1-4H3
InChIKeyOATICRMJGGIIEI-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine?
The IUPAC name of N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine (CID 586874) is N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine?
The canonical SMILES for N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine is C=C(C=NNC(C)C)C(C)C.
What is the InChIKey of N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine?
The InChIKey is OATICRMJGGIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9(5)6-10-11-8(3)4/h6-8,11H,5H2,1-4H3.
What are the key properties of N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine?
N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylidenebutylidene)amino]propan-2-amine is sourced from PubChem (CID 586874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).