[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium

C20H43N2+ — CID 123198153

IUPAC[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium
SMILESC=C(C)C(CN)C(CCC(C)CC)[N+](C)(C)CC(C)CCC
InChIInChI=1S/C20H43N2/c1-9-11-18(6)15-22(7,8)20(13-12-17(5)10-2)19(14-21)16(3)4/h17-20H,3,9-15,21H2,1-2,4-8H3/q+1
InChIKeySGXKFGNNICVBRI-UHFFFAOYSA-N
MW311.58 g/mol
LogP4.84
Rot. Bonds12

About [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium

[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium (PubChem CID 123198153) has the molecular formula C20H43N2+ and a molecular weight of 311.58 g/mol. Its IUPAC name is [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium.

Molecular Properties

Compound Name[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium
PubChem CID123198153
Molecular FormulaC20H43N2+
Molecular Weight311.58 g/mol
Exact Mass311.34
IUPAC Name[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium
SMILESC=C(C)C(CN)C(CCC(C)CC)[N+](C)(C)CC(C)CCC
InChIInChI=1S/C20H43N2/c1-9-11-18(6)15-22(7,8)20(13-12-17(5)10-2)19(14-21)16(3)4/h17-20H,3,9-15,21H2,1-2,4-8H3/q+1
InChIKeySGXKFGNNICVBRI-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-methylhexane;2-methylprop-1-ene
CID 165405684
(3R,6R)-3,6-dimethylnonane
CID 170848352
1-amino-5-methylheptan-2-ol
CID 54546021
ethane;3-methylhexane;N-methylprop-1-en-2-amine
CID 143357594
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol
CID 173354014
3-methylhexane;3-methylpentane;pentane
CID 158601477
5-(aminomethyl)-2-methyloct-1-en-4-one
CID 116574621
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium?
The IUPAC name of [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium (CID 123198153) is [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium.
What is the SMILES notation for [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium?
The canonical SMILES for [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium is C=C(C)C(CN)C(CCC(C)CC)[N+](C)(C)CC(C)CCC.
What is the InChIKey of [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium?
The InChIKey is SGXKFGNNICVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N2/c1-9-11-18(6)15-22(7,8)20(13-12-17(5)10-2)19(14-21)16(3)4/h17-20H,3,9-15,21H2,1-2,4-8H3/q+1.
What are the key properties of [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium?
[3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium has a molecular weight of 311.58 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,7-dimethylnon-1-en-4-yl]-dimethyl-(2-methylpentyl)azanium is sourced from PubChem (CID 123198153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).