(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C18H25N5 — CID 155266085

IUPAC(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCC(C)(C)n1nnc(C2(CN[C@H]3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-17(2,3)23-21-16(20-22-23)18(9-10-18)12-19-15-11-14(15)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyLFHTVBSVZFPWBO-LOACHALJSA-N
MW311.43 g/mol
LogP2.61
Rot. Bonds5

About (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155266085) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155266085
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCC(C)(C)n1nnc(C2(CN[C@H]3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-17(2,3)23-21-16(20-22-23)18(9-10-18)12-19-15-11-14(15)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyLFHTVBSVZFPWBO-LOACHALJSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 155266085) is (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is CC(C)(C)n1nnc(C2(CN[C@H]3CC3c3ccccc3)CC2)n1.
What is the InChIKey of (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is LFHTVBSVZFPWBO-LOACHALJSA-N. The full InChI is InChI=1S/C18H25N5/c1-17(2,3)23-21-16(20-22-23)18(9-10-18)12-19-15-11-14(15)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(2-tert-butyltetrazol-5-yl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).