2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine

C14H21N3 — CID 113447459

IUPAC2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine
SMILESNc1cccnc1CN(CC1CC1)CC1CC1
InChIInChI=1S/C14H21N3/c15-13-2-1-7-16-14(13)10-17(8-11-3-4-11)9-12-5-6-12/h1-2,7,11-12H,3-6,8-10,15H2
InChIKeyZRAMKBXTXCQTAA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.29
Rot. Bonds6

About 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine

2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine (PubChem CID 113447459) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine
PubChem CID113447459
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine
SMILESNc1cccnc1CN(CC1CC1)CC1CC1
InChIInChI=1S/C14H21N3/c15-13-2-1-7-16-14(13)10-17(8-11-3-4-11)9-12-5-6-12/h1-2,7,11-12H,3-6,8-10,15H2
InChIKeyZRAMKBXTXCQTAA-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine (CID 113447459) is 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine is Nc1cccnc1CN(CC1CC1)CC1CC1.
What is the InChIKey of 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine?
The InChIKey is ZRAMKBXTXCQTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-13-2-1-7-16-14(13)10-17(8-11-3-4-11)9-12-5-6-12/h1-2,7,11-12H,3-6,8-10,15H2.
What are the key properties of 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine?
2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 113447459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).