N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine

C11H24N2 — CID 96923135

IUPACN',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
SMILESC[C@H]1CCC[C@H]1NCCCN(C)C
InChIInChI=1S/C11H24N2/c1-10-6-4-7-11(10)12-8-5-9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyPHAMRXZERMSOKN-WDEREUQCSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds5

About N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine

N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine (PubChem CID 96923135) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
PubChem CID96923135
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
SMILESC[C@H]1CCC[C@H]1NCCCN(C)C
InChIInChI=1S/C11H24N2/c1-10-6-4-7-11(10)12-8-5-9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyPHAMRXZERMSOKN-WDEREUQCSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-3-(N-methylamino)hexylamine
CID 26635
2-[(Dimethylamino)methyl]cyclopentan-1-amine
CID 23009058
N,2-dimethylcyclopentan-1-amine
CID 15741635
1-(Cyclopentylmethyl)piperidin-4-amine
CID 20395869
rac-(1R,2R)-2-[(dimethylamino)methyl]cyclopentan-1-amine
CID 23423010
[2-(4-Methylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293357
N,N,2,2-tetramethyl-N'-(3-methylcyclopentyl)propane-1,3-diamine
CID 2845449
N-(Cyclopentylmethyl)propan-1-amine
CID 43163755
Ethyl(3-methylhexan-2-yl)amine
CID 50988215
N-(2-fluoroethyl)-N-methyl-2-(3-methylpyrrolidin-2-yl)ethanamine
CID 172335306
N-(2-fluoroethyl)-N-[2-(3-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176602023
trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine
CID 14814920

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine (CID 96923135) is N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine is C[C@H]1CCC[C@H]1NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
The InChIKey is PHAMRXZERMSOKN-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24N2/c1-10-6-4-7-11(10)12-8-5-9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine is sourced from PubChem (CID 96923135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).