N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine

C16H35N3 — CID 81469439

IUPACN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCCCC(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H35N3/c1-13(2)10-17-9-7-8-15(4)19-11-14(3)16(12-19)18(5)6/h13-17H,7-12H2,1-6H3
InChIKeyPTEUDXHSZBGAON-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds8

About N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine (PubChem CID 81469439) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
PubChem CID81469439
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCCCC(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H35N3/c1-13(2)10-17-9-7-8-15(4)19-11-14(3)16(12-19)18(5)6/h13-17H,7-12H2,1-6H3
InChIKeyPTEUDXHSZBGAON-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
CID 81469175
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
4-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070458
1-[1-(ethylamino)pentan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 83055181
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
CID 62432465
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62434416
N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine
CID 81469258
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide
CID 81463630

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine (CID 81469439) is N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine is CC(C)CNCCCC(C)N1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine?
The InChIKey is PTEUDXHSZBGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)10-17-9-7-8-15(4)19-11-14(3)16(12-19)18(5)6/h13-17H,7-12H2,1-6H3.
What are the key properties of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine 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 N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 81469439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).