N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine

C12H26N2 — CID 114547307

IUPACN'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(NCC(CN)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(7-13)8-14-12-5-4-10(3)6-12/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBQDLBDZVVJGCGC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.00
Rot. Bonds5

About N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine

N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 114547307) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID114547307
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(NCC(CN)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-9(2)11(7-13)8-14-12-5-4-10(3)6-12/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBQDLBDZVVJGCGC-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114547299
N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 107442737
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one
CID 152877016
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
1-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114547296
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
2-N-(3-methylcyclopentyl)pentane-1,2-diamine
CID 114544517
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441997
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine (CID 114547307) is N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine is CC1CCC(NCC(CN)C(C)C)C1.
What is the InChIKey of N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is BQDLBDZVVJGCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)11(7-13)8-14-12-5-4-10(3)6-12/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114547307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).