1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine

C16H35N3 — CID 79313405

IUPAC1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)CC1CCCN1C
InChIInChI=1S/C16H35N3/c1-7-10-17-14(2)16(3,4)13-18(5)12-15-9-8-11-19(15)6/h14-15,17H,7-13H2,1-6H3
InChIKeyUYXZECKOBKATCJ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine

1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine (PubChem CID 79313405) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
PubChem CID79313405
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)CC1CCCN1C
InChIInChI=1S/C16H35N3/c1-7-10-17-14(2)16(3,4)13-18(5)12-15-9-8-11-19(15)6/h14-15,17H,7-13H2,1-6H3
InChIKeyUYXZECKOBKATCJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66454535
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 79315856
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
N-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79312803

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine (CID 79313405) is 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)CC1CCCN1C.
What is the InChIKey of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The InChIKey is UYXZECKOBKATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-10-17-14(2)16(3,4)13-18(5)12-15-9-8-11-19(15)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79313405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).