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

C16H35N3 — CID 66454535

IUPAC1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H35N3/c1-7-9-17-14(2)16(3,4)13-19(6)12-15-8-10-18(5)11-15/h14-15,17H,7-13H2,1-6H3
InChIKeyFRFMGCUARKASDX-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds8

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

1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine (PubChem CID 66454535) 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-3-yl)methyl]-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
PubChem CID66454535
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H35N3/c1-7-9-17-14(2)16(3,4)13-19(6)12-15-8-10-18(5)11-15/h14-15,17H,7-13H2,1-6H3
InChIKeyFRFMGCUARKASDX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 63907711
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine (CID 66454535) is 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)CC1CCN(C)C1.
What is the InChIKey of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine?
The InChIKey is FRFMGCUARKASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-9-17-14(2)16(3,4)13-19(6)12-15-8-10-18(5)11-15/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine?
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-3-N-propylbutane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 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-3-yl)methyl]-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66454535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).