(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium

C10H23N2+ — CID 123138008

IUPAC(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium
SMILESCC(C)=[N+](C)CC(C)CC(C)N
InChIInChI=1S/C10H23N2/c1-8(2)12(5)7-9(3)6-10(4)11/h9-10H,6-7,11H2,1-5H3/q+1
InChIKeyOAJBDIYRYRRGIP-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.48
Rot. Bonds4

About (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium

(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium (PubChem CID 123138008) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium.

Molecular Properties

Compound Name(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium
PubChem CID123138008
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium
SMILESCC(C)=[N+](C)CC(C)CC(C)N
InChIInChI=1S/C10H23N2/c1-8(2)12(5)7-9(3)6-10(4)11/h9-10H,6-7,11H2,1-5H3/q+1
InChIKeyOAJBDIYRYRRGIP-UHFFFAOYSA-N
XLogP1.48
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium?
The IUPAC name of (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium (CID 123138008) is (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium.
What is the SMILES notation for (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium?
The canonical SMILES for (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium is CC(C)=[N+](C)CC(C)CC(C)N.
What is the InChIKey of (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium?
The InChIKey is OAJBDIYRYRRGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-8(2)12(5)7-9(3)6-10(4)11/h9-10H,6-7,11H2,1-5H3/q+1.
What are the key properties of (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium?
(4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium has a molecular weight of 171.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpentyl)-methyl-propan-2-ylideneazanium is sourced from PubChem (CID 123138008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).