tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate

C14H29N3O2 — CID 107252066

IUPACtert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCCCN)C1CC1
InChIInChI=1S/C14H29N3O2/c1-13(2,3)19-12(18)16-10-14(4,11-6-7-11)17-9-5-8-15/h11,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyHYRDKDFXQGAXNJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.62
Rot. Bonds7

About tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate

tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate (PubChem CID 107252066) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
PubChem CID107252066
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCCCN)C1CC1
InChIInChI=1S/C14H29N3O2/c1-13(2,3)19-12(18)16-10-14(4,11-6-7-11)17-9-5-8-15/h11,17H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyHYRDKDFXQGAXNJ-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
CID 103790497
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
CID 103740239
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
CID 107252063

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate (CID 107252066) is tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NCCCN)C1CC1.
What is the InChIKey of tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate?
The InChIKey is HYRDKDFXQGAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,3)19-12(18)16-10-14(4,11-6-7-11)17-9-5-8-15/h11,17H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate?
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate is sourced from PubChem (CID 107252066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).