tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate

C14H29N3O2 — CID 107250997

IUPACtert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCCN1
InChIInChI=1S/C14H29N3O2/c1-5-11(16-10-12-7-6-8-15-12)9-17-13(18)19-14(2,3)4/h11-12,15-16H,5-10H2,1-4H3,(H,17,18)
InChIKeyBNKNQGUAZYIHMY-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.63
Rot. Bonds6

About tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate

tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate (PubChem CID 107250997) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
PubChem CID107250997
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCCN1
InChIInChI=1S/C14H29N3O2/c1-5-11(16-10-12-7-6-8-15-12)9-17-13(18)19-14(2,3)4/h11-12,15-16H,5-10H2,1-4H3,(H,17,18)
InChIKeyBNKNQGUAZYIHMY-UHFFFAOYSA-N
XLogP1.63
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate;methyl formate
CID 142104824
N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 106638277
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate (CID 107250997) is tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCC1CCCN1.
What is the InChIKey of tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate?
The InChIKey is BNKNQGUAZYIHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-11(16-10-12-7-6-8-15-12)9-17-13(18)19-14(2,3)4/h11-12,15-16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate?
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate is sourced from PubChem (CID 107250997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).