N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine

C17H27N5 — CID 35287616

IUPACN-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine
SMILESCN(Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N5/c1-21(10-16-18-19-20-22(16)15-2-3-15)11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,2-11H2,1H3
InChIKeyZRXAMJIXDPCFJC-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.66
Rot. Bonds5

About N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine

N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine (PubChem CID 35287616) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine
PubChem CID35287616
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine
SMILESCN(Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N5/c1-21(10-16-18-19-20-22(16)15-2-3-15)11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,2-11H2,1H3
InChIKeyZRXAMJIXDPCFJC-UHFFFAOYSA-N
XLogP2.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine?
The IUPAC name of N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine (CID 35287616) is N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine is CN(Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine?
The InChIKey is ZRXAMJIXDPCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-21(10-16-18-19-20-22(16)15-2-3-15)11-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15H,2-11H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine?
N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine has a molecular weight of 301.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(1-cyclopropyltetrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 35287616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).