N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine

C12H25N3 — CID 81079562

IUPACN'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C12H25N3/c1-10(8-13)4-6-14-11-5-7-15(9-11)12-2-3-12/h10-12,14H,2-9,13H2,1H3
InChIKeyNOCNXHWPFWHPCY-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.80
Rot. Bonds6

About N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine

N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine (PubChem CID 81079562) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
PubChem CID81079562
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNC1CCN(C2CC2)C1
InChIInChI=1S/C12H25N3/c1-10(8-13)4-6-14-11-5-7-15(9-11)12-2-3-12/h10-12,14H,2-9,13H2,1H3
InChIKeyNOCNXHWPFWHPCY-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665
N'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
N'-(1-cyclopropylpyrrolidin-3-yl)-2-propylpropane-1,3-diamine
CID 65232832
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220
1-cyclohexyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995937
1-cyclopentyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 115887460
1-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62982179
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine (CID 81079562) is N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine is CC(CN)CCNC1CCN(C2CC2)C1.
What is the InChIKey of N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine?
The InChIKey is NOCNXHWPFWHPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(8-13)4-6-14-11-5-7-15(9-11)12-2-3-12/h10-12,14H,2-9,13H2,1H3.
What are the key properties of N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine?
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 81079562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).