N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine

C13H29N3 — CID 62512571

IUPACN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
SMILESCC(C)NCC1CCN(CCCN(C)C)C1
InChIInChI=1S/C13H29N3/c1-12(2)14-10-13-6-9-16(11-13)8-5-7-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyRYVNTKGDQFCSTA-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds7

About N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine

N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine (PubChem CID 62512571) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
PubChem CID62512571
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
SMILESCC(C)NCC1CCN(CCCN(C)C)C1
InChIInChI=1S/C13H29N3/c1-12(2)14-10-13-6-9-16(11-13)8-5-7-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyRYVNTKGDQFCSTA-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62975746
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114800653
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine (CID 62512571) is N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine is CC(C)NCC1CCN(CCCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine?
The InChIKey is RYVNTKGDQFCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)14-10-13-6-9-16(11-13)8-5-7-15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 62512571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).