N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

C16H35N3 — CID 106981814

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1(C(C)C)CCNC1
InChIInChI=1S/C16H35N3/c1-14(2)11-19(10-9-18(5)6)13-16(15(3)4)7-8-17-12-16/h14-15,17H,7-13H2,1-6H3
InChIKeyKTHBJIRHYJCKML-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.14
Rot. Bonds8

About N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 106981814) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID106981814
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1(C(C)C)CCNC1
InChIInChI=1S/C16H35N3/c1-14(2)11-19(10-9-18(5)6)13-16(15(3)4)7-8-17-12-16/h14-15,17H,7-13H2,1-6H3
InChIKeyKTHBJIRHYJCKML-UHFFFAOYSA-N
XLogP2.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

((5-Azaspiro(2.4)heptan-7-yl)methyl)dimethylamine
CID 121226985
3-(3-Tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine
CID 70646114
N-[2-(3-tert-butylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113417857
N,N'-bis(3,5,5-trimethylhexyl)ethane-1,2-diamine
CID 415901
1-(1,4,4-Trimethylpyrrolidin-3-yl)ethanamine
CID 20763621
1-{5-Methyl-5-azaspiro[2.4]heptan-7-yl}methanamine
CID 20763713
1-(4-ethylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 54193923
N'-(2-aminoethyl)-N'-[2-(3,4-diethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 57578613
N,1,3,4,4,5-hexamethylpyrrolidin-3-amine
CID 57970152
1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 58779029
4-Tert-butyl-1-pyrrolidin-3-ylpiperidine
CID 62328638
4,4-Diethyl-1,3-dimethylpyrrolidin-3-amine
CID 67975095

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (CID 106981814) is N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is CC(C)CN(CCN(C)C)CC1(C(C)C)CCNC1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is KTHBJIRHYJCKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)11-19(10-9-18(5)6)13-16(15(3)4)7-8-17-12-16/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 106981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).